| SpectraBase Compound ID | 2GNPhhSbBWz |
|---|---|
| InChI | InChI=1S/C14H20ClNO/c1-12(2)11-16(14(17)10-15)9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3 |
| InChIKey | QQSGVZUVFFXLSU-UHFFFAOYSA-N |
| Mol Weight | 253.77 g/mol |
| Molecular Formula | C14H20ClNO |
| Exact Mass | 253.123342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GiDsi3YZEiT |
|---|---|
| Name | Chloroacetamide, N-(2-phenylethyl)-N-isobutyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.123341967 u |
| Formula | C14H20ClNO |
| InChI | InChI=1S/C14H20ClNO/c1-12(2)11-16(14(17)10-15)9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3 |
| InChIKey | QQSGVZUVFFXLSU-UHFFFAOYSA-N |
| Molecular Weight | 253.773 g/mol |
| SMILES | C1=CC=CC(=C1)CCN(C(CCl)=O)CC(C)C |